3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide

C12H26N2O2S — CID 86818152

IUPAC3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide
SMILESCC(C)N1CC(NS(=O)(=O)CCC(C)(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-10(2)14-8-11(9-14)13-17(15,16)7-6-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyMNLQWBJECILRJV-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.43
Rot. Bonds5

About 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide

3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide (PubChem CID 86818152) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide
PubChem CID86818152
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide
SMILESCC(C)N1CC(NS(=O)(=O)CCC(C)(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-10(2)14-8-11(9-14)13-17(15,16)7-6-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyMNLQWBJECILRJV-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide (CID 86818152) is 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide is CC(C)N1CC(NS(=O)(=O)CCC(C)(C)C)C1.
What is the InChIKey of 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide?
The InChIKey is MNLQWBJECILRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)14-8-11(9-14)13-17(15,16)7-6-12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide?
3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-propan-2-ylazetidin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 86818152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).